PYROTINIB MALEATE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H31ClN6O3.2C4H4O4
Molecular Weight	815.224
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CCOC1=CC2=C(C=C1NC(=O)\C=C\[C@H]3CCCN3C)C(NC4=CC(Cl)=C(OCC5=CC=CC=N5)C=C4)=C(C=N2)C#N

InChI

InChIKey=KLHFGQSCVQPTIN-XUZAKNADSA-N

InChI=1S/C32H31ClN6O3.2C4H4O4/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23;2*5-3(6)1-2-4(7)8/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40);2*1-2H,(H,5,6)(H,7,8)/b12-10+;2*2-1-/t24-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C32H31ClN6O3
Molecular Weight	583.08
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:02:36 UTC 2023` Edited by `admin` on `Sat Dec 16 11:02:36 UTC 2023`
Record UNII	85KUE857XM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYROTINIB MALEATE

Official Name

English

Pyrotinib maleate [WHO-DD]

Common Name

English

SHR-1258 DIMALEATE

Common Name

English

2-PROPENAMIDE, N-(4-((3-CHLORO-4-(2-PYRIDINYLMETHOXY)PHENYL)AMINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-3-((2R)-1-METHYL-2-PYRROLIDINYL)-, (2E)-, (2Z)-2-BUTENEDIOATE (1:2)

Systematic Name

English

Code System Code Type Description

CAS

1397922-61-0